ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine

C14H26N2 — CID 144778371

IUPACethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C)C1CCCN(CC)C1.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-14-9-5-6-12(10-14)11(2)7-8-13-3;1-2/h7-8,12H,2-6,9-10H2,1H3;1-2H3/b8-7-;
InChIKeyPMFQSYCYHANDGI-CFYXSCKTSA-N
MW222.38 g/mol
LogP3.52
Rot. Bonds4

About ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine

ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine (PubChem CID 144778371) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine
PubChem CID144778371
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C)C1CCCN(CC)C1.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-14-9-5-6-12(10-14)11(2)7-8-13-3;1-2/h7-8,12H,2-6,9-10H2,1H3;1-2H3/b8-7-;
InChIKeyPMFQSYCYHANDGI-CFYXSCKTSA-N
XLogP3.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-(2-methylidenebut-3-enyl)piperidine
CID 90407248
N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine
CID 123252528
1-(6-Methyloct-1-enyl)piperidine
CID 123584147
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123879121
1-ethenyl-4-[(3E)-5-methylhexa-3,5-dien-3-yl]piperidine
CID 137439444
ethane;(Z)-4-(1-methylpiperidin-4-yl)but-1-en-1-amine
CID 142212212
N-[(1Z)-2-[(1-methylpiperidin-4-yl)methyl]buta-1,3-dienyl]methanimine
CID 143443971
N-[(1E)-2-[(4-methylpiperidin-1-yl)methyl]buta-1,3-dienyl]methanimine
CID 144404050
1-[(E)-4-ethylhept-1-enyl]piperidine
CID 144465922
N-[(Z)-4-methyl-3-methylidene-1-piperidin-1-ylpent-1-enyl]methanimine
CID 156726917
(E)-N-methyl-2-(1-methylidenepiperidin-1-ium-3-yl)-N-prop-2-enylprop-1-en-1-amine
CID 169905064

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine (CID 144778371) is ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine is C=N/C=C\C(=C)C1CCCN(CC)C1.CC.
What is the InChIKey of ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine?
The InChIKey is PMFQSYCYHANDGI-CFYXSCKTSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-4-14-9-5-6-12(10-14)11(2)7-8-13-3;1-2/h7-8,12H,2-6,9-10H2,1H3;1-2H3/b8-7-;.
What are the key properties of ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine?
ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine has a molecular weight of 222.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1Z)-3-(1-ethylpiperidin-3-yl)buta-1,3-dienyl]methanimine is sourced from PubChem (CID 144778371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).